Structure Database (LMSD)

OH OH HO OH O
Common Name
Ammothamnidin
Systematic Name
Synonyms
LM ID
LMPK12120121
Formula
C25H28O5
Exact Mass
Calculate m/z
408.193675
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
BGZLDYWPLZVXDX-DHZHZOJOSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-15(2)5-6-18(16(3)4)13-21-23(28)12-10-20(25(21)30)22(27)11-8-17-7-9-19(26)14-24(17)29/h5,7-12,14,18,26,28-30H,3,6,13H2,1-2,4H3/b11-8+
SMILES (Click to copy)
C1=CC(O)=CC(O)=C1/C=C/C(=O)C1C(O)=C(CC(C(C)=C)C/C=C(\C)/C)C(O)=CC=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL1C1LNI0003
PubChem CID
6247097

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 412.09
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.50
Molar Refractivity 118.96

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Updated at
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